Amantadine

Amantadine

SCHEMBL27623922

C=C(C)C(N)=O.NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BM

The experimentally established mechanism targets of Amantadine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D known ✓ O15399 4/20 0.54
GRIN3B known ✓ O60391 4/20 0.54
GRIN1 known ✓ Q05586 4/20 0.54
GRIN2A known ✓ Q12879 4/20 0.54
GRIN2B known ✓ Q13224 4/20 0.54
GRIN2C known ✓ Q14957 4/20 0.54
GRIN3A known ✓ Q8TCU5 4/20 0.54
LMNA P02545 3/20 0.54
TSHR P16473 2/20 0.54
SLC22A1 O15245 2/20 0.54
NFKB1 P19838 2/20 0.54
SLC22A2 O15244 1/20 0.54
STAT6 P42226 1/20 0.54
SLC47A1 Q96FL8 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
THRB P10828 2/20 0.53
CYP2C9 P11712 2/20 0.53
POLB P06746 2/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Amantadine SCHEMBL27677379 0.82 THRB (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14917397 0.80 TDP1 (0.46) TSHRTHRBCYP2C9SMN1; SMN2TDP1
Amantadine SCHEMBL15015750 0.80 THRB (0.71) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Amantadine SCHEMBL20771731 0.78 GRIN1 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Amantadine SCHEMBL15015696 0.78 LMNA (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Amantadine SCHEMBL4339906 0.77 THRB (0.74) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Amantadine SCHEMBL4602828 0.77 GRIN1 (0.81) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Amantadine SCHEMBL15016083 0.76 LMNA (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Amantadine SCHEMBL16109305 0.74 LMNA (0.82) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Amantadine SCHEMBL29011286 0.74 GRIN1 (0.87) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1713787-A Organic electroluminescent device, method for producing the same, and electronic apparatus SEIKO EPSON CORP (JP) 2005-12-28 CN disclosed